N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine

C10H10FN3O — CID 62594100

IUPACN-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C10H10FN3O/c1-2-12-10-13-9(14-15-10)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyKYZBFGSYYGJZSW-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.31
Rot. Bonds3

About N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine

N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62594100) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
PubChem CID62594100
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC NameN-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C10H10FN3O/c1-2-12-10-13-9(14-15-10)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyKYZBFGSYYGJZSW-UHFFFAOYSA-N
XLogP2.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62594653
(1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 52531104
N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62851902
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672066
N-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347939
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267112
N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62596320
N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 122215897
3-(4-fluorophenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 154866240
3-(4-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594488
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65285630
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60671278

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine (CID 62594100) is N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine is CCNc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is KYZBFGSYYGJZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-2-12-10-13-9(14-15-10)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine?
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 207.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).